5VXF

Crystal structure of Xanthomonas campestris OleA E117Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-10-27
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.03320
Spacegroup name	P 21 21 21
Unit cell lengths	82.244, 85.861, 102.961
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.750
R-factor	0.163
Rwork	0.161
R-free	0.19740
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ku3
RMSD bond length	0.029
RMSD bond angle	2.511
Data reduction software	HKL-2000 (v705)
Data scaling software	HKL-2000 (v705)
Phasing software	REFMAC (5.8.0158)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.080	0.042	0.820
Rmeas	0.086	0.046	0.883
Rpim	0.032	0.017	0.324
Number of reflections	73521
<I/σ(I)>	10.8
Completeness [%]	99.9	99	100
Redundancy	7.4	7	7.4
CC(1/2)		0.998	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	292	17% PEG 8000, 105 mM potassium phosphate dibasic, 100 mM sodium citrate pH 4.2